Chelist Moleculee
cas:24868-20-0
einecs:
smiles:c1(c2ccc([N+](=O)[O-])cc2)oc(\C=N\N2CC(=O)[NH-]C2=O)cc1.[Na+]
name:Dantrolene Sodium Hemiheptahydrate
MW:337.2428
formula:C14H10N4NaO5
InChi:
InChiKey:
SMARTS:

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

Japanese TGx project (132): TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) (International Research Projects)